GROUP THEORY SYMBOL

GTBuckyBall

GTBuckyBall[r5,r6]
generates a cluster of C atoms representing buckminsterfullerene. r5 denotes the bond lengths in the pentagons and r6 represents the length of the bonds connecting pentagons.

DetailsDetails

  • The cartesian coordinates of buckminsterfullerene are generated. The output is given in the same form used in typical structure generations using GTCluster within GTPack.
  • Mathematica also contains internally information about C60. We offer an additional method integrated in the framework of GTPack.
  • The following options can be given:
  • GOColorScheme"ElementData"Selects the color scheme for atoms
    GOCoordinateSystemFalsePlots a coordinate system
    GODirection{0, 0, 0}Indicates a special direction
    GOPlotTrueDecides if the buckyball is plotted
    GOSphereTruePlots the circumscribing sphere
  • See: Peter Senn, Computation of the Cartesian Coordinates of Buckminsterfullere, Journal of Chemical Education, 72, 302 (1995)

ExamplesExamplesopen allclose all

Basic Examples  (1)Basic Examples  (1)

First load the package:

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From X-ray diffraction values for r5 and r6 are known to be r6=1.391 Å and r5= 1.455 Å.

In[2]:=
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In[3]:=
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Out[3]=

Options  (5)Options  (5)

Properties & Relations  (1)Properties & Relations  (1)

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